2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate

C14H17NO3 — CID 141096762

IUPAC2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
SMILESCC(C)COC(=O)N1c2ccccc2C=CC1O
InChIInChI=1S/C14H17NO3/c1-10(2)9-18-14(17)15-12-6-4-3-5-11(12)7-8-13(15)16/h3-8,10,13,16H,9H2,1-2H3
InChIKeyNSEOVBFVQOKGFS-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.63
Rot. Bonds2

About 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate

2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate (PubChem CID 141096762) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
PubChem CID141096762
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
SMILESCC(C)COC(=O)N1c2ccccc2C=CC1O
InChIInChI=1S/C14H17NO3/c1-10(2)9-18-14(17)15-12-6-4-3-5-11(12)7-8-13(15)16/h3-8,10,13,16H,9H2,1-2H3
InChIKeyNSEOVBFVQOKGFS-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate (CID 141096762) is 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate is CC(C)COC(=O)N1c2ccccc2C=CC1O.
What is the InChIKey of 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate?
The InChIKey is NSEOVBFVQOKGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)9-18-14(17)15-12-6-4-3-5-11(12)7-8-13(15)16/h3-8,10,13,16H,9H2,1-2H3.
What are the key properties of 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate?
2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate is sourced from PubChem (CID 141096762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).